Information card for entry 4309936

Structure parameters

• Common name: Cd(EDTAM)(NO3)2
• Formula: C10 H20 Cd N8 O10
• Calculated formula: C10 H20 Cd N8 O10
• SMILES: [Cd]12345([O]=C(N)C[N]4(CC(=[O]1)N)CC[N]5(CC(=[O]2)N)CC(=[O]3)N)ON(=O)=O.O=N(=O)[O-]
• Title of publication: Factors Controlling Metal-Ion Selectivity in the Binding Sites of Calcium-Binding Proteins. The Metal-Binding Properties of Amide Donors. A Crystallographic and Thermodynamic Study
• Authors of publication: Laura A. Clapp; Chynthia J. Siddons; Jason R. Whitehead; Donald G. VanDerveer; Robin D. Rogers; Scott T. Griffin; S. Bart Jones; Robert D. Hancock
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8495 - 8502
• a: 10.7666 ± 0.0017 Å
• b: 12.952 ± 0.002 Å
• c: 13.273 ± 0.002 Å
• α: 90°
• β: 103.572 ± 0.003°
• γ: 90°
• Cell volume: 1799.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0177
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No